N-[1-(2-chlorobenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide

C23H27ClN2O3 — CID 108553730

IUPACN-[1-(2-chlorobenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide
SMILESCc1ccccc1OCCCC(=O)NC1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C23H27ClN2O3/c1-17-7-2-5-10-21(17)29-16-6-11-22(27)25-18-12-14-26(15-13-18)23(28)19-8-3-4-9-20(19)24/h2-5,7-10,18H,6,11-16H2,1H3,(H,25,27)
InChIKeyXLZKBOKRVBOVAC-UHFFFAOYSA-N
MW414.93 g/mol
LogP4.23
Rot. Bonds7

About N-[1-(2-chlorobenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide

N-[1-(2-chlorobenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide (PubChem CID 108553730) has the molecular formula C23H27ClN2O3 and a molecular weight of 414.93 g/mol. Its IUPAC name is N-[1-(2-chlorobenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[1-(2-chlorobenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide
PubChem CID108553730
Molecular FormulaC23H27ClN2O3
Molecular Weight414.93 g/mol
Exact Mass414.17
IUPAC NameN-[1-(2-chlorobenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide
SMILESCc1ccccc1OCCCC(=O)NC1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C23H27ClN2O3/c1-17-7-2-5-10-21(17)29-16-6-11-22(27)25-18-12-14-26(15-13-18)23(28)19-8-3-4-9-20(19)24/h2-5,7-10,18H,6,11-16H2,1H3,(H,25,27)
InChIKeyXLZKBOKRVBOVAC-UHFFFAOYSA-N
XLogP4.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.93
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-acetylpiperidin-4-yl)-4-(2-methylphenoxy)butanamide
CID 108561273
4-(2-methylphenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 108553773
N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide
CID 108553786
N,N-diethyl-4-[4-(2-methylphenoxy)butanoylamino]piperidine-1-carboxamide
CID 108561260
4-(2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide
CID 108553694
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-phenoxypropanamide
CID 108554888
4-(2-methylphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]butanamide
CID 108553764
4-(2-chlorophenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 49387753
N-[1-(2-methylbenzoyl)piperidin-4-yl]pentanamide
CID 110820234
4-(2-chlorophenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]butanamide
CID 49380926
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-(2-methylphenoxy)butanamide
CID 108553731
4-(2-chlorophenoxy)-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]butanamide
CID 108553708

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorobenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide?
The IUPAC name of N-[1-(2-chlorobenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide (CID 108553730) is N-[1-(2-chlorobenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide.
What is the SMILES notation for N-[1-(2-chlorobenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide?
The canonical SMILES for N-[1-(2-chlorobenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide is Cc1ccccc1OCCCC(=O)NC1CCN(C(=O)c2ccccc2Cl)CC1.
What is the InChIKey of N-[1-(2-chlorobenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide?
The InChIKey is XLZKBOKRVBOVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O3/c1-17-7-2-5-10-21(17)29-16-6-11-22(27)25-18-12-14-26(15-13-18)23(28)19-8-3-4-9-20(19)24/h2-5,7-10,18H,6,11-16H2,1H3,(H,25,27).
What are the key properties of N-[1-(2-chlorobenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide?
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide has a molecular weight of 414.93 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorobenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide is sourced from PubChem (CID 108553730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).